Chemoinformaics analysis of 7-HYDROXYQUINOLINE


Molecular Weight 145.161 nRot 0
Heavy Atom Molecular Weight 138.105 nRig 11
Exact Molecular Weight 145.053 nRing 2
Solubility: LogS -2.112 nHRing 1
Solubility: LogP 1.615 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 18 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 1
nHetero 2 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 7 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 10
No. of Oxygen atom 1 No. of Arom Bond 11
nHA 2 APOL 21.5996
nHD 1 BPOL 8.16245
QED 0.614
Synth 1.804
Natural Product Likeliness -0.162
NR-PPAR-gamma 0.005
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.005
Pgp-sub 0.006
HIA 0.014
CACO-2 -4.481
MDCK 0.0000256
BBB 0.195
PPB 0.639558
VDSS 1.661
FU 0.278223
CYP1A2-inh 0.952
CYP1A2-sub 0.443
CYP2c19-inh 0.307
CYP2c19-sub 0.151
CYP2c9-inh 0.073
CYP2c9-sub 0.906
CYP2d6-inh 0.261
CYP2d6-sub 0.879
CYP3a4-inh 0.102
CYP3a4-sub 0.186
CL 11.761
T12 0.73
hERG 0.038
Ames 0.332
ROA 0.745
SkinSen 0.842
Carcinogencity 0.53
EI 0.99
Respiratory 0.915
NR-Aromatase 0.126
Antiviral No
Prediction 0.773967